Electronic structure calculations based on the one particle Green's function and DFT
Dnr:
NAISS 2023/22-847
Type:
NAISS Small Compute
Principal Investigator:
Thijs Jan Holleboom
Affiliation:
Karlstads universitet
Start Date:
2023-09-01
End Date:
2024-09-01
Primary Classification:
10304: Condensed Matter Physics
Webpage:
Allocation
- Centre Storage at NSC: 500 GiB
- Tetralith at NSC: 5 x 1000 core-h/month
Abstract
Different approximations for calculating the one particle Green's function, following a DFT calculation, will be tested for medium sized finite systems, both surfaces and bulk systems.